MolNFT v1 · #89369 · protein
Crystal structure of putative glutathione reductase from sinorhizobium meliloti 1021
4DNA · Probable glutathione reductase: “Crystal structure of putative glutathione reductase from sinorhizobium meliloti 1021”. X-ray diffraction, 1 ligand (FAD), 6 pockets (best druggability 0.84). MolNFT v1 #89369 on GenesisL1: 3D…
- PDB
- 4DNA
- Type
- protein
- Length
- 922 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable glutathione reductase
- EC
- 1.8.1.7
- UniProt
- Q92PC0
- Ligands
- FAD
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Probable glutathione reductase (EC 1.8.1.7) | protein | 461 | 33% helix, 26% strand | Q92PC0 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 800 | 0.84 | 0.87 | 109 | empty |
| 2 | 786 | 0.79 | 0.82 | 89 | FAD |
| 3 | 719 | 0.79 | 0.83 | 89 | FAD |
| 4 | 185 | 0.62 | 0.83 | 36 | empty |
| 5 | 50 | 0.39 | 0.81 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 3542 Ų buried · 34 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 modified, 2 disulfide (engineered, disulfide).
Compared structures
- 4DNA · CRYSTAL STRUCTURE OF putative glutathione reductase from Sinorhizobium meliloti 1021 · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q92PC0
- Elsewhere: RCSB PDB 4DNA · PDBe 4DNA · UniProt Q92PC0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.